A detailed study on stereodynamics of He+H_2^(+)(v=1,j=1) reaction with quasi-classical trajectory calculations

Calculations of He+H2+ (v=l,j=l) reaction system are carded out on a new potential energy surface (PES) at different collision energies with the quasi-classical trajectory (QCT) method. The results of the reaction probability and the cross section curves show an obvious oscillatory structure attributed to the resonances caused by the potential well of the Hell2+ complex. The three angular distributions P(θr), P(φr) and P(θr,(φr) as well as four polarization dependent differential cross sections (PDDCSs) are calculated, respectively. Results indicate that the collision energy has great influence on both the vector correlation of k-k', k-j', k-k'-j' and the PDDCSs of the title reaction. The rotational polarization of product Hell+ presents diverse characteristics at dif- ferent collision energies. The rotational angular momentum vectorsj' of product are both aligned and oriented. Furthermore, the product Hell+ tends to scatter forward correspondingly as the collision energy increases.

Calculations of He+H 2 +(v=1,j=1) reaction system are carried out on a new potential energy surface(PES) at different collision energies with the quasi-classical trajectory(QCT) method.The results of the reaction probability and the cross section curves show an obvious oscillatory structure attributed to the resonances caused by the potential well of the HeH 2 + complex.The three angular distributions P(r),P(r) and P(r,r) as well as four polarization dependent differential cross sections(PDDCSs) are calculated,respectively.Results indicate that the collision energy has great influence on both the vector correlation of k-k',k-j',k-k'-j' and the PDDCSs of the title reaction.The rotational polarization of product HeH + presents diverse characteristics at different collision energies.The rotational angular momentum vectors j' of product are both aligned and oriented.Furthermore,the product HeH + tends to scatter forward correspondingly as the collision energy increases.